%chk=000093798.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000093798

0 1
 Br   4.925900      -3.270100     -0.4714000    
 F   0.9566000     -0.4217000      -1.251700    
 F    2.268700       2.828000       1.388600    
 O   -3.371600     -0.3392000      -1.964800    
 O  -0.1630000      -1.396200       2.021900    
 O   -5.719300      0.3421000      0.1876000    
 O   -6.034100      -2.384400     -7.2400004E-02
 O    5.867800     -0.4915000      -1.419400    
 C   -2.223000      4.0600002E-02  0.1765000    
 C   -1.302800       1.101600     -0.4652000    
 C   7.4199997E-02   1.203300      0.2083000    
 C   0.7999000     -0.1824000      0.1047000    
 C   -3.501400      0.2594000     -0.6786000    
 C   -1.529500      -1.326800      1.8800000E-02
 C  -9.9200003E-02  -1.354200      0.6047000    
 C   -2.186900       2.344600     -0.5273000    
 C    2.263600     -0.1297000      0.6985000    
 C   -3.595400       1.794400     -0.8347000    
 C   0.9079000       2.317700     -0.4521000    
 C   -2.541100      0.3256000       1.670600    
 C    2.325300       2.385100      0.1008000    
 C    2.994000       1.036700      2.7000001E-02
 C   -4.747100     -0.3504000     -0.1098000    
 C    2.313200      8.3600000E-02   2.229100    
 C    2.980100      -1.449100      0.4400000    
 C    4.142900      0.8994000     -0.6519000    
 C   -4.734300      -1.853000      7.4199997E-02
 C    4.126100      -1.600200     -0.2371000    
 C    4.802500     -0.4133000     -0.8151000    
 H   -1.115000      0.8138000      -1.512700    
 H  -5.3900000E-02   1.473100       1.261200    
 H   -1.457500      -1.593300      -1.042600    
 H   -2.116200      -2.111100      0.5064000    
 H   0.3462000      -2.301300      0.2792000    
 H   -1.859300       3.043500      -1.303800    
 H   -2.185900       2.884800      0.4261000    
 H   -4.306100       2.262900     -0.1454000    
 H   -3.889500       2.077800      -1.851800    
 H   0.4213000       3.284900     -0.2800000    
 H   0.9465000       2.160700      -1.537900    
 H   -3.180900       1.204500       1.802500    
 H   -3.062800     -0.5193000       2.131600    
 H   -1.648300      0.5083000       2.271700    
 H    2.886300       3.142600     -0.4580000    
 H    1.622600      0.8598000       2.570300    
 H    2.073200     -0.8289000       2.786000    
 H    3.318900      0.3811000       2.554700    
 H    2.523200      -2.336700      0.8746000    
 H   -4.117000     -4.4599999E-02  -2.515700    
 H  -0.6868000      -2.175600       2.273600    
 H    4.627700       1.746700      -1.126200    
 H   -4.378600      -2.093000       1.078200    
 H   -4.098900      -2.343300     -0.6662000    
 H   -6.308200      -2.238000     -0.9939000    


%chk=000093798-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000093798

0 1
Br 5.009219 -3.355883 0.040704
F 1.056930 -0.355902 -1.344232
F 2.415234 3.083774 1.233837
O -3.236233 -0.374652 -2.015914
O 0.015925 -1.545038 1.957333
O -5.470545 0.015238 0.795915
O -6.127318 -2.516107 0.212341
O 6.029325 -0.645739 -1.204498
C -2.190692 -0.015743 0.179170
C -1.313395 1.112179 -0.451052
C 0.079351 1.241458 0.195766
C 0.820724 -0.121963 0.119238
C -3.513732 0.199569 -0.678208
C -1.470411 -1.358810 -0.065037
C -0.021361 -1.382389 0.488876
C -2.238437 2.351706 -0.465098
C 2.274344 -0.049260 0.746998
C -3.660040 1.753911 -0.731196
C 0.902941 2.340017 -0.525139
C -2.502493 0.213445 1.680842
C 2.370686 2.407666 -0.099102
C 3.027923 1.049633 0.002884
C -4.739030 -0.509164 -0.092732
C 2.256719 0.304589 2.284837
C 2.959913 -1.400071 0.647367
C 4.232884 0.827738 -0.595789
C -5.078412 -1.917961 -0.583614
C 4.162308 -1.594765 0.041628
C 4.907580 -0.493423 -0.635324
H -1.148625 0.805783 -1.504078
H -0.023390 1.510498 1.263599
H -1.430788 -1.547189 -1.152189
H -2.017760 -2.209790 0.393363
H 0.497267 -2.245707 0.022390
H -1.947321 3.078879 -1.242218
H -2.211488 2.878943 0.506800
H -4.390327 2.078280 0.029221
H -4.060356 2.065572 -1.715301
H 0.444800 3.329609 -0.348727
H 0.875116 2.145575 -1.614310
H -3.103631 1.122358 1.848949
H -3.082792 -0.631900 2.094024
H -1.573491 0.286744 2.266899
H 2.950160 3.074908 -0.761374
H 1.770438 1.273493 2.470931
H 1.735410 -0.484478 2.843833
H 3.299771 0.385366 2.635324
H 2.462131 -2.218662 1.179769
H -3.783584 0.101386 -2.690151
H -0.654866 -2.227213 2.212433
H 4.773499 1.634681 -1.106285
H -4.172464 -2.553878 -0.556331
H -5.383546 -1.856404 -1.649704
H -6.483069 -1.801610 0.814031


